肽的太赫兹时域光谱和密度泛函理论计算

J. Neu, C. Schmuttenmaer
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引用次数: 0

摘要

生命的基本组成部分是氨基酸。肽是下一个更大的单位,由几个氨基酸组成。这使得它们成为研究分子内和分子间弱作用力的一个很好的模型系统,这对描述有机分子的动力学和功能很重要。我们介绍了左旋肌肽和四聚体酶肽的结果。我们将讨论它们的光谱,并将实验结果与周期边界密度泛函理论计算结果进行比较。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Terahertz Time Domain Spectroscopy and Density Functional Theory Calculations of Peptides
The basic building blocks of life are amino acids. Peptides are the next larger unit, formed by a few amino acids. This makes them an excellent model system to study weak intra- and intermolecular forces which are important to describe dynamics and function of organic molecules. We present results on L-carnosine and tetrameric enzymatic-peptides. We will discuss their spectra and compare the experimental findings with periodic boundary density functional theory calculations.
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